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        "molfile": "\n  Marvin  01132101462D          \n\n 23 23  0  0  0  0            999 V2000\n    2.9094  -12.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9094  -11.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3155  -11.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    3.3232  -10.3575    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    3.3155  -13.2126    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0\n    0.8405  -11.7928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    1.6603  -11.7773    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0819  -12.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    2.0819  -11.0713    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1378  -11.7928    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0\n    4.1456  -10.3575    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    4.1378  -13.2126    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0\n    2.8965  -13.9264    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    2.9094   -9.6386    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4293  -11.0816    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.4293  -12.5014    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    0.0181  -11.7928    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5490  -12.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    4.5620  -11.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3870  -11.0790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.8033  -10.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    5.3792  -12.5143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n    6.6283  -10.3653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n  2  3  1  0  0  0  0\n  3  1  2  0  0  0  0\n  4  2  1  0  0  0  0\n  5  1  1  0  0  0  0\n  6  7  1  0  0  0  0\n  7  8  2  0  0  0  0\n  8  1  1  0  0  0  0\n  9  2  2  0  0  0  0\n 10  3  1  0  0  0  0\n 11  4  1  0  0  0  0\n 12  5  1  0  0  0  0\n 13  5  2  0  0  0  0\n 14  4  2  0  0  0  0\n 15  6  1  0  0  0  0\n 16  6  1  0  0  0  0\n 17  6  1  0  0  0  0\n 18 10  1  0  0  0  0\n 19 10  1  0  0  0  0\n 20 19  1  0  0  0  0\n 21 20  1  0  0  0  0\n 22 18  1  0  0  0  0\n 23 21  1  0  0  0  0\n  7  9  1  0  0  0  0\nM  CHG  4   4   1   5   1  11  -1  12  -1\nM  END",
        "smiles": "CCCCN(CC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]",
        "formula": "C13H16F3N3O4",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ACHIRAL",
        "defined_stereo": 0,
        "ez_centers": 0,
        "molecular_weight": "335.2796",
        "optical_activity": "NONE",
        "references": [
          "52144575-8c3a-4115-9aaf-f730854ee134",
          "90a49004-fe6f-48d5-8e74-b5631bf20215"
        ],
        "stereo_centers": 0
      },
      "unii": "28224BUY6R"
    }
  ]
}